4-cyclopropyl-6-phenyl-3-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile

C23H15F3N4 — CID 132530627

IUPAC4-cyclopropyl-6-phenyl-3-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
SMILESN#Cc1c(-c2ccccc2)nc2n[nH]c(-c3ccc(C(F)(F)F)cc3)c2c1C1CC1
InChIInChI=1S/C23H15F3N4/c24-23(25,26)16-10-8-15(9-11-16)21-19-18(13-6-7-13)17(12-27)20(28-22(19)30-29-21)14-4-2-1-3-5-14/h1-5,8-11,13H,6-7H2,(H,28,29,30)
InChIKeyYDOCQFOEOHFOPC-UHFFFAOYSA-N
MW404.40 g/mol
LogP6.06
Rot. Bonds3

About 4-cyclopropyl-6-phenyl-3-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile

4-cyclopropyl-6-phenyl-3-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile (PubChem CID 132530627) has the molecular formula C23H15F3N4 and a molecular weight of 404.40 g/mol. Its IUPAC name is 4-cyclopropyl-6-phenyl-3-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name4-cyclopropyl-6-phenyl-3-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
PubChem CID132530627
Molecular FormulaC23H15F3N4
Molecular Weight404.40 g/mol
Exact Mass404.12
IUPAC Name4-cyclopropyl-6-phenyl-3-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
SMILESN#Cc1c(-c2ccccc2)nc2n[nH]c(-c3ccc(C(F)(F)F)cc3)c2c1C1CC1
InChIInChI=1S/C23H15F3N4/c24-23(25,26)16-10-8-15(9-11-16)21-19-18(13-6-7-13)17(12-27)20(28-22(19)30-29-21)14-4-2-1-3-5-14/h1-5,8-11,13H,6-7H2,(H,28,29,30)
InChIKeyYDOCQFOEOHFOPC-UHFFFAOYSA-N
XLogP6.06
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.40
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 132530624
2,3,6-triphenyl-4,5-bis[4-(trifluoromethyl)phenyl]pyridine
CID 102130644
2-[3-phenyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]benzonitrile
CID 154001022
6-(2-fluoro-4-hydroxyphenyl)-3-(4-phenylphenyl)-4-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride
CID 162312218
4-(4-fluorophenyl)-2-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-imidazole
CID 102333222
3-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]pyridine
CID 135066095
1-[3,4-bis[4-(trifluoromethyl)phenyl]isoquinolin-1-yl]-3,4-bis[4-(trifluoromethyl)phenyl]isoquinoline
CID 169227849
3-[3-(4-cyano-5-phenyl-1H-pyrazol-3-yl)phenyl]-5-phenyl-1H-pyrazole-4-carbonitrile
CID 118532822
2-amino-6-(4-hydroxyphenyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile
CID 136642954
4-(4-tert-butylphenyl)-6-[4-[4-(4-tert-butylphenyl)-5-cyano-6-phenyl-2-pyridinyl]phenyl]-2-phenylpyridine-3-carbonitrile
CID 66676027
2,3-diphenyl-5-[4-(trifluoromethyl)phenyl]pyrazine
CID 59806456
4-thiophen-2-yl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
CID 62501709

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-phenyl-3-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The IUPAC name of 4-cyclopropyl-6-phenyl-3-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile (CID 132530627) is 4-cyclopropyl-6-phenyl-3-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 4-cyclopropyl-6-phenyl-3-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 4-cyclopropyl-6-phenyl-3-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile is N#Cc1c(-c2ccccc2)nc2n[nH]c(-c3ccc(C(F)(F)F)cc3)c2c1C1CC1.
What is the InChIKey of 4-cyclopropyl-6-phenyl-3-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The InChIKey is YDOCQFOEOHFOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F3N4/c24-23(25,26)16-10-8-15(9-11-16)21-19-18(13-6-7-13)17(12-27)20(28-22(19)30-29-21)14-4-2-1-3-5-14/h1-5,8-11,13H,6-7H2,(H,28,29,30).
What are the key properties of 4-cyclopropyl-6-phenyl-3-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
4-cyclopropyl-6-phenyl-3-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile has a molecular weight of 404.40 g/mol, XLogP of 6.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-phenyl-3-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 132530627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).